(8Z)-2-imino-3-oxa-17-azatricyclo[15.3.0.05,7]icos-8-ene-4,16-dione

C18H26N2O3 — CID 143823876

IUPAC(8Z)-2-imino-3-oxa-17-azatricyclo[15.3.0.05,7]icos-8-ene-4,16-dione
SMILES[H]/N=C1\OC(=O)C2CC2/C=C\CCCCCCC(=O)N2CCCC12
InChIInChI=1S/C18H26N2O3/c19-17-15-9-7-11-20(15)16(21)10-6-4-2-1-3-5-8-13-12-14(13)18(22)23-17/h5,8,13-15,19H,1-4,6-7,9-12H2/b8-5-,19-17-
InChIKeyQBEZNOQWITWNNG-ZVORNCKRSA-N
MW318.42 g/mol
LogP3.04
Rot. Bonds

About (8Z)-2-imino-3-oxa-17-azatricyclo[15.3.0.05,7]icos-8-ene-4,16-dione

(8Z)-2-imino-3-oxa-17-azatricyclo[15.3.0.05,7]icos-8-ene-4,16-dione (PubChem CID 143823876) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (8Z)-2-imino-3-oxa-17-azatricyclo[15.3.0.05,7]icos-8-ene-4,16-dione.

Molecular Properties

Compound Name(8Z)-2-imino-3-oxa-17-azatricyclo[15.3.0.05,7]icos-8-ene-4,16-dione
PubChem CID143823876
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(8Z)-2-imino-3-oxa-17-azatricyclo[15.3.0.05,7]icos-8-ene-4,16-dione
SMILES[H]/N=C1\OC(=O)C2CC2/C=C\CCCCCCC(=O)N2CCCC12
InChIInChI=1S/C18H26N2O3/c19-17-15-9-7-11-20(15)16(21)10-6-4-2-1-3-5-8-13-12-14(13)18(22)23-17/h5,8,13-15,19H,1-4,6-7,9-12H2/b8-5-,19-17-
InChIKeyQBEZNOQWITWNNG-ZVORNCKRSA-N
XLogP3.04
TPSA70.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8Z)-2-imino-3-oxa-17-azatricyclo[15.3.0.05,7]icos-8-ene-4,16-dione?
The IUPAC name of (8Z)-2-imino-3-oxa-17-azatricyclo[15.3.0.05,7]icos-8-ene-4,16-dione (CID 143823876) is (8Z)-2-imino-3-oxa-17-azatricyclo[15.3.0.05,7]icos-8-ene-4,16-dione.
What is the SMILES notation for (8Z)-2-imino-3-oxa-17-azatricyclo[15.3.0.05,7]icos-8-ene-4,16-dione?
The canonical SMILES for (8Z)-2-imino-3-oxa-17-azatricyclo[15.3.0.05,7]icos-8-ene-4,16-dione is [H]/N=C1\OC(=O)C2CC2/C=C\CCCCCCC(=O)N2CCCC12.
What is the InChIKey of (8Z)-2-imino-3-oxa-17-azatricyclo[15.3.0.05,7]icos-8-ene-4,16-dione?
The InChIKey is QBEZNOQWITWNNG-ZVORNCKRSA-N. The full InChI is InChI=1S/C18H26N2O3/c19-17-15-9-7-11-20(15)16(21)10-6-4-2-1-3-5-8-13-12-14(13)18(22)23-17/h5,8,13-15,19H,1-4,6-7,9-12H2/b8-5-,19-17-.
What are the key properties of (8Z)-2-imino-3-oxa-17-azatricyclo[15.3.0.05,7]icos-8-ene-4,16-dione?
(8Z)-2-imino-3-oxa-17-azatricyclo[15.3.0.05,7]icos-8-ene-4,16-dione has a molecular weight of 318.42 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-2-imino-3-oxa-17-azatricyclo[15.3.0.05,7]icos-8-ene-4,16-dione is sourced from PubChem (CID 143823876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).